SCHEMBL2879464

SCHEMBL2879464

CC(CI)OC(=O)N1CCC(COc2ccc(-c3ccc([S+](C)[O-])cc3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.57
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL387771 0.91 GPR119 (0.68) GPR119CYP4F2CYP4A11
SCHEMBL387578 0.91 GPR119 (0.68) GPR119CYP4F2CYP4A11
SCHEMBL387579 0.91 GPR119 (0.68) GPR119CYP4F2CYP4A11
SCHEMBL2883381 0.90 GPR119 (0.44) GPR119
Trifluoroacetic Acid SCHEMBL386580 0.86 GPR119 (0.62) GPR119CYP4F2CYP4A11
SCHEMBL3986034 0.85 GPR119 (0.52) GPR119CYP4F2CYP4A11
SCHEMBL14191032 0.84 GPR119 (0.68) GPR119CYP4F2CYP4A11
SCHEMBL388999 0.80 GPR119 (0.53) GPR119
SCHEMBL389001 0.78 GPR119 (0.58) GPR119CYP4F2CYP4A11
SCHEMBL388632 0.78 GPR119 (0.69) GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010512334-A 2010-04-22 JP claimed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP claimed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO claimed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed